(2-azanyl-2-oxidanylidene-ethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid (2-amino-2-keto-ethyl) ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N)C

InChI

InChI=1S/C16H16N2O3S/c1-10-5-6-12(8-11(10)2)22-15-13(4-3-7-18-15)16(20)21-9-14(17)19/h3-8H,9H2,1-2H3,(H2,17,19)